2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine

C15H22N4 — CID 107447511

IUPAC2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
SMILESCc1ccc(Cn2ncnc2CNC(C)(C)C)cc1
InChIInChI=1S/C15H22N4/c1-12-5-7-13(8-6-12)10-19-14(16-11-18-19)9-17-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyDGTDERFOUDVXPZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.52
Rot. Bonds4

About 2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine

2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine (PubChem CID 107447511) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
PubChem CID107447511
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
SMILESCc1ccc(Cn2ncnc2CNC(C)(C)C)cc1
InChIInChI=1S/C15H22N4/c1-12-5-7-13(8-6-12)10-19-14(16-11-18-19)9-17-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyDGTDERFOUDVXPZ-UHFFFAOYSA-N
XLogP2.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine (CID 107447511) is 2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine is Cc1ccc(Cn2ncnc2CNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine?
The InChIKey is DGTDERFOUDVXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12-5-7-13(8-6-12)10-19-14(16-11-18-19)9-17-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 107447511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).